4-[3-(2-oxo-2-pyrrolidin-1-ylethyl)imidazo[4,5-b]pyridin-5-yl]benzonitrile

C19H17N5O — CID 90469124

IUPAC4-[3-(2-oxo-2-pyrrolidin-1-ylethyl)imidazo[4,5-b]pyridin-5-yl]benzonitrile
SMILESN#Cc1ccc(-c2ccc3ncn(CC(=O)N4CCCC4)c3n2)cc1
InChIInChI=1S/C19H17N5O/c20-11-14-3-5-15(6-4-14)16-7-8-17-19(22-16)24(13-21-17)12-18(25)23-9-1-2-10-23/h3-8,13H,1-2,9-10,12H2
InChIKeyDPQVYTIZMPCOFO-UHFFFAOYSA-N
MW331.38 g/mol
LogP2.59
Rot. Bonds3

About 4-[3-(2-oxo-2-pyrrolidin-1-ylethyl)imidazo[4,5-b]pyridin-5-yl]benzonitrile

4-[3-(2-oxo-2-pyrrolidin-1-ylethyl)imidazo[4,5-b]pyridin-5-yl]benzonitrile (PubChem CID 90469124) has the molecular formula C19H17N5O and a molecular weight of 331.38 g/mol. Its IUPAC name is 4-[3-(2-oxo-2-pyrrolidin-1-ylethyl)imidazo[4,5-b]pyridin-5-yl]benzonitrile.

Molecular Properties

Compound Name4-[3-(2-oxo-2-pyrrolidin-1-ylethyl)imidazo[4,5-b]pyridin-5-yl]benzonitrile
PubChem CID90469124
Molecular FormulaC19H17N5O
Molecular Weight331.38 g/mol
Exact Mass331.14
IUPAC Name4-[3-(2-oxo-2-pyrrolidin-1-ylethyl)imidazo[4,5-b]pyridin-5-yl]benzonitrile
SMILESN#Cc1ccc(-c2ccc3ncn(CC(=O)N4CCCC4)c3n2)cc1
InChIInChI=1S/C19H17N5O/c20-11-14-3-5-15(6-4-14)16-7-8-17-19(22-16)24(13-21-17)12-18(25)23-9-1-2-10-23/h3-8,13H,1-2,9-10,12H2
InChIKeyDPQVYTIZMPCOFO-UHFFFAOYSA-N
XLogP2.59
TPSA74.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.38
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(2-oxo-2-pyrrolidin-1-ylethyl)imidazo[4,5-b]pyridin-5-yl]benzonitrile?
The IUPAC name of 4-[3-(2-oxo-2-pyrrolidin-1-ylethyl)imidazo[4,5-b]pyridin-5-yl]benzonitrile (CID 90469124) is 4-[3-(2-oxo-2-pyrrolidin-1-ylethyl)imidazo[4,5-b]pyridin-5-yl]benzonitrile.
What is the SMILES notation for 4-[3-(2-oxo-2-pyrrolidin-1-ylethyl)imidazo[4,5-b]pyridin-5-yl]benzonitrile?
The canonical SMILES for 4-[3-(2-oxo-2-pyrrolidin-1-ylethyl)imidazo[4,5-b]pyridin-5-yl]benzonitrile is N#Cc1ccc(-c2ccc3ncn(CC(=O)N4CCCC4)c3n2)cc1.
What is the InChIKey of 4-[3-(2-oxo-2-pyrrolidin-1-ylethyl)imidazo[4,5-b]pyridin-5-yl]benzonitrile?
The InChIKey is DPQVYTIZMPCOFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5O/c20-11-14-3-5-15(6-4-14)16-7-8-17-19(22-16)24(13-21-17)12-18(25)23-9-1-2-10-23/h3-8,13H,1-2,9-10,12H2.
What are the key properties of 4-[3-(2-oxo-2-pyrrolidin-1-ylethyl)imidazo[4,5-b]pyridin-5-yl]benzonitrile?
4-[3-(2-oxo-2-pyrrolidin-1-ylethyl)imidazo[4,5-b]pyridin-5-yl]benzonitrile has a molecular weight of 331.38 g/mol, XLogP of 2.59, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(2-oxo-2-pyrrolidin-1-ylethyl)imidazo[4,5-b]pyridin-5-yl]benzonitrile is sourced from PubChem (CID 90469124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).